[(4S)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[[(4S)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-isopropyl-ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[[(4S)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-propan-2-ylazanium Traditional Name: benzyl-[[(4S)-5-carbethoxy-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-isopropyl-ammonium Formula: C25H32N3O4+ MolecularWeight: 438.53928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)OC)C[NH+](CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)OC)C[NH+](CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C25H31N3O4/c1-5-32-24(29)22-21(16-28(17(2)3)15-18-9-7-6-8-10-18)26-25(30)27-23(22)19-11-13-20(31-4)14-12-19/h6-14,17,23H,5,15-16H2,1-4H3,(H2,26,27,30)/p+1/t23-/m0/s1